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Name | CHEMBL3901521 |
---|---|
Molecular formula | C30H38N4O5 |
IUPAC name | N-[(2S)-3-cyclohexyl-1-[[(2S,3R)-3-hydroxy-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylbutan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide |
Molecular weight | 534.657 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 4.5 |
Synonyms | SCHEMBL15120237 |
Inchi Key | JEUFCDHSENONPA-PSUQPPDWSA-N |
Inchi ID | InChI=1S/C30H38N4O5/c1-20(35)26(29(38)34-17-14-30(15-18-34)13-11-22-9-5-6-10-23(22)30)33-27(36)24(19-21-7-3-2-4-8-21)32-28(37)25-12-16-31-39-25/h5-6,9-13,16,20-21,24,26,35H,2-4,7-8,14-15,17-19H2,1H3,(H,32,37)(H,33,36)/t20-,24+,26+/m1/s1 |
PubChem CID | 89697608 |
ChEMBL | CHEMBL3901521 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
539816 | Proteinase-activated receptor 2 | P55085 | F2RL1 | Homo sapiens (Human) | 397 |
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